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Hi, I just (re-)discovered Orange and it has really impressively developed.
I like the very intuitive use covering a broad range of functionality, the nice visualizations and the fact that it is writ…
apahl updated
5 years ago
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When compared to the ``DDL1`` version of the dictionary the ``DDLm`` seems to contain multiple additional enumeration ranges. Some of the new ranges, i.e. the ones for data items describing temperatur…
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I'm looking into differences of calculations for several chemistry software, in particular Logp.
Since Alogp is a common Qsar model based on atom center fragments contributions like described in [A.K…
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##### Prototypes version
0.90
##### Orange version
3.8.0 (git revision:58a5218)
##### Expected behavior
Prototype "Significant Groups" can perform a variety of statistical tests for Hypothesi…
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Hello,
At RCSB, they have a ligand viewer nowadays:
https://www.rcsb.org/3d-view/1OXR
then choose Ligand View and select AIN (aspirin).
They can detect all those interactions:
Hydrogen Bonds …
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How consistent is it?
This will drive the topic area selectors in the reports
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Was there ever a discussion about how we(applications) should be setting the bond order for aromatics or resonance bonds. Did the idea of a 5th bond type (aromatic/resonance) ever come up?
I ask …
danpf updated
5 years ago
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Is there a way of disabling the use of colour when rendering molecules?
e.g. the following both produce coloured outputs when previewed in a Jupyter notebook:
```
import pybel
mol = pybel.read…
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Hello, I’m very interested in this, but quite new in programming and/or chemoinformatics.
I believe We can find in here something that will help me.
So, I have an in-house database with several SMIL…
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##### Network version
##### Orange version
##### Expected behavior
##### Actual behavior
##### Steps to reproduce the behavior
##### Additional info (worksheets,…
ghost updated
6 years ago